Download Simmate

You can install Simmate to host your own server and access advanced features

learn more

Entry Data

Table mix-ins: ['Structure'] Extra columns: ['formation_energy']

Base Information:

  • Database Entry ID: oqmd-40312
  • Created at: Sept. 4, 2022, 3:52 p.m.
  • Last updated at: Sept. 4, 2022, 3:52 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 80
  • Number of elements: 4
  • Element list: ['Ca', 'In', 'O', 'Si']
  • Chemical System: Ca-In-O-Si
  • Density: 4.445192798391762
  • Atomic Density: 0.08550950832055323
  • Unit Cell Volume: 935.5684715213248
  • Molar Volume: 7.042656282649337
  • Full Formula: Ca12 In8 Si12 O48
  • Reduced Formula: Ca3In2(SiO4)3
  • Formula Anonymous: A2B3C3D12
  • Spacegroup Number: 230
  • Spacegroup Symbol: Ia-3d
  • Crystal System: cubic
  • Pointgroup: m-3m